2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide

C13H25N3OS — CID 80736654

IUPAC2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide
SMILESCC1(CNC(=O)CN2CCC(N)CC2)CCCS1
InChIInChI=1S/C13H25N3OS/c1-13(5-2-8-18-13)10-15-12(17)9-16-6-3-11(14)4-7-16/h11H,2-10,14H2,1H3,(H,15,17)
InChIKeyHGGRWPVOEHNJIA-UHFFFAOYSA-N
MW271.43 g/mol
LogP0.81
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide

2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide (PubChem CID 80736654) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide
PubChem CID80736654
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide
SMILESCC1(CNC(=O)CN2CCC(N)CC2)CCCS1
InChIInChI=1S/C13H25N3OS/c1-13(5-2-8-18-13)10-15-12(17)9-16-6-3-11(14)4-7-16/h11H,2-10,14H2,1H3,(H,15,17)
InChIKeyHGGRWPVOEHNJIA-UHFFFAOYSA-N
XLogP0.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 115694296
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide
CID 80736660
2-amino-N-[(2-methylthiolan-2-yl)methyl]cycloheptane-1-carboxamide
CID 80736958
4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride
CID 120563633
1-[[(2R)-2-methylthiolan-2-yl]methyl]-3-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 97090578
2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 79327517
1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115694325
2-(4-aminopiperidin-1-yl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 107220866
2-(4-aminopiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 79332156
2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 79328199
2-(4-aminopiperidin-1-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 112701547
2-(4-aminopiperidin-1-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102905813

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide (CID 80736654) is 2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide is CC1(CNC(=O)CN2CCC(N)CC2)CCCS1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide?
The InChIKey is HGGRWPVOEHNJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-13(5-2-8-18-13)10-15-12(17)9-16-6-3-11(14)4-7-16/h11H,2-10,14H2,1H3,(H,15,17).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide?
2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide has a molecular weight of 271.43 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide is sourced from PubChem (CID 80736654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).